| SpectraBase Compound ID | 2RFdtRkxbyw |
|---|---|
| InChI | InChI=1S/C25H38O5/c1-14(26)19-6-7-20-18-13-23(30-16(3)28)22-12-17(29-15(2)27)8-10-25(22,5)21(18)9-11-24(19,20)4/h17-23H,6-13H2,1-5H3 |
| InChIKey | AGNUMQPIOAPNHN-UHFFFAOYSA-N |
| Mol Weight | 418.6 g/mol |
| Molecular Formula | C25H38O5 |
| Exact Mass | 418.271924 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | GDFFvdij6GX |
|---|---|
| Name | Pregnan-20-one, 3,6-bis(acetyloxy)-, (3.beta.,5.alpha.,6.alpha.)- |
| CAS Registry Number | 37772-22-8 |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C25H38O5 |
| InChI | InChI=1S/C25H38O5/c1-14(26)19-6-7-20-18-13-23(30-16(3)28)22-12-17(29-15(2)27)8-10-25(22,5)21(18)9-11-24(19,20)4/h17-23H,6-13H2,1-5H3 |
| InChIKey | AGNUMQPIOAPNHN-UHFFFAOYSA-N |
| Molecular Weight | 418.574 g/mol |
| SMILES | C12CC(CCC2(C2CCC3(C(C2CC1OC(C)=O)CCC3C(C)=O)C)C)OC(C)=O |
| SPLASH | splash10-052b-6951000000-37988cf805f00de83c4f |
| Source of Spectrum | SD-1981-0-0 |
| Synonyms | 3-(Acetyloxy)-20-oxopregnan-6-yl acetate (17-acetyl-6-acetyloxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-yl) acetate (6-acetoxy-17-acetyl-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-yl) acetate (6-acetyloxy-17-ethanoyl-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-yl) ethanoate 3.beta.,6.alpha.-Diacetoxyallopregnane-20-one Acetic acid (17-acetyl-6-acetyloxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-yl) ester Acetic acid (6-acetoxy-17-acetyl-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-yl) ester |
| Wiley ID | 1377313 |